[(2S,4R,5R)-4-[(1R)-1-oxidanylpentadecyl]-2-phenyl-1,3-dioxan-5-yl] methanesulfonate

Systemtic Name: [(2S,4R,5R)-4-[(1R)-1-oxidanylpentadecyl]-2-phenyl-1,3-dioxan-5-yl] methanesulfonate Openeye Name: [(2S,4R,5R)-4-[(1R)-1-hydroxypentadecyl]-2-phenyl-1,3-dioxan-5-yl] methanesulfonate CAS Name: methanesulfonic acid [(2S,4R,5R)-4-[(1R)-1-hydroxypentadecyl]-2-phenyl-1,3-dioxan-5-yl] ester IUPAC Name: [(2S,4R,5R)-4-[(1R)-1-hydroxypentadecyl]-2-phenyl-1,3-dioxan-5-yl] methanesulfonate Traditional Name: methanesulfonic acid [(2S,4R,5R)-4-[(1R)-1-hydroxypentadecyl]-2-phenyl-1,3-dioxan-5-yl] ester Formula: C26H44O6S MolecularWeight: 484.68896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C1C(COC(O1)C2=CC=CC=C2)OS(=O)(=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@@H]1[C@@H](CO[C@@H](O1)C2=CC=CC=C2)OS(=O)(=O)C)O

InChI

InChI=1S/C26H44O6S/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23(27)25-24(32-33(2,28)29)21-30-26(31-25)22-18-15-14-16-19-22/h14-16,18-19,23-27H,3-13,17,20-21H2,1-2H3/t23-,24-,25-,26+/m1/s1